#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xke s SER 2 N 0.00 -0.15 0.42 1.61 0.01 -1.26 -4.96 113.70 109.38 1xke s SER 2 Ca 0.00 -1.55 0.23 0.00 1.31 0.00 0.00 55.95 55.94 1xke s SER 2 Cb 0.00 1.14 0.33 0.00 0.21 0.00 0.00 66.02 67.70 1xke s SER 2 CO 0.00 -0.18 1.58 1.23 0.41 0.00 0.00 173.24 176.28 1xke h GLY 3 N 6.45 0.00 -6.10 3.44 0.00 -2.04 -3.49 103.07 101.34 1xke h GLY 3 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.15 1xke h GLY 3 CO 0.15 0.00 -0.59 1.18 0.00 0.00 0.00 176.54 177.28 1xke n GLU 4 N -3.06 -1.46 -1.48 4.80 -0.58 -1.26 -5.02 120.64 112.59 1xke n GLU 4 Ca 0.04 1.12 0.00 0.00 -0.42 0.00 0.00 57.16 57.90 1xke n GLU 4 Cb 0.53 -3.91 0.00 0.00 -0.57 0.00 0.00 31.44 27.49 1xke n GLU 4 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1xke n GLU 5 N -2.18 2.49 -0.96 3.49 0.00 -1.26 -4.74 120.64 117.48 1xke n GLU 5 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.99 1xke n GLU 5 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.04 1xke n GLU 5 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1xke n ASP 6 N -0.76 -2.65 -4.41 -1.84 2.03 -1.26 -4.97 116.55 102.70 1xke n ASP 6 Ca 0.00 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 1xke n ASP 6 Cb 0.00 -1.12 -0.14 0.00 -0.72 0.00 0.00 41.12 39.14 1xke n ASP 6 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1xke s GLU 7 N -0.46 2.33 0.19 -0.67 -1.05 -1.26 -0.02 118.70 117.77 1xke s GLU 7 Ca 0.00 -0.80 0.09 0.00 -0.15 0.00 0.00 54.97 54.11 1xke s GLU 7 Cb 0.00 -2.23 -0.04 0.00 -0.44 0.00 0.00 34.13 31.41 1xke s GLU 7 CO 0.00 0.60 -0.06 -1.59 0.95 0.00 0.00 175.26 175.15 1xke s LYS 8 N -0.69 2.16 -0.28 -4.83 -2.85 0.82 -4.70 119.74 109.37 1xke s LYS 8 Ca 0.11 -1.27 -0.24 0.00 -1.00 0.00 0.00 55.97 53.57 1xke s LYS 8 Cb -0.10 -2.20 -0.00 0.00 -2.06 0.00 0.00 37.83 33.47 1xke s LYS 8 CO -0.00 0.43 0.83 0.08 0.10 0.00 0.00 175.35 176.79 1xke s VAL 9 N -1.82 4.79 -0.20 1.79 1.01 -1.24 -1.03 120.40 123.71 1xke s VAL 9 Ca 0.26 1.42 -0.15 0.00 0.00 0.00 0.00 61.98 63.51 1xke s VAL 9 Cb -0.08 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.04 1xke s VAL 9 CO 0.17 -0.18 -0.15 0.18 0.00 0.00 0.00 175.10 175.12 1xke n LEU 10 N 6.16 1.88 -3.82 3.92 4.77 -0.28 -4.90 117.00 124.74 1xke n LEU 10 Ca 0.05 0.45 -0.12 0.00 -0.03 0.00 0.00 56.01 56.36 1xke n LEU 10 Cb 0.48 -0.86 -0.12 0.00 -2.33 0.00 0.00 43.42 40.59 1xke n LEU 10 CO 0.50 -0.00 -0.15 -0.47 -1.33 0.00 0.00 177.39 175.94 1xke s TYR 11 N -2.48 -0.16 -0.09 -1.77 5.04 -1.26 -4.88 117.35 111.75 1xke s TYR 11 Ca -0.27 0.38 0.01 0.00 -2.44 0.00 0.00 57.07 54.75 1xke s TYR 11 Cb 0.06 0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.44 1xke s TYR 11 CO 0.42 -0.15 -0.09 -1.54 -1.34 0.00 0.00 175.55 172.86 1xke s SER 12 N -0.24 1.90 -0.00 4.32 1.04 -1.25 -1.39 113.70 118.08 1xke s SER 12 Ca -0.03 -0.28 -0.13 0.00 0.48 0.00 0.00 55.95 55.99 1xke s SER 12 Cb -0.03 -0.79 0.02 0.00 0.10 0.00 0.00 66.02 65.32 1xke s SER 12 CO 0.01 -0.06 0.27 -1.10 0.98 0.00 0.00 173.24 173.34 1xke s GLN 13 N 1.26 0.65 -0.20 4.02 -1.52 0.70 -4.90 119.66 119.67 1xke s GLN 13 Ca -0.04 -0.29 -0.29 0.00 -1.95 0.00 0.00 55.36 52.79 1xke s GLN 13 Cb -0.14 0.28 0.00 0.00 -0.22 0.00 0.00 33.01 32.94 1xke s GLN 13 CO -0.03 -0.18 1.07 0.50 -0.25 0.00 0.00 175.29 176.40 1xke s ARG 14 N -1.52 4.28 0.30 2.91 3.52 -1.26 0.90 118.95 128.08 1xke s ARG 14 Ca -0.13 1.41 0.03 0.00 -0.13 0.00 0.00 55.73 56.92 1xke s ARG 14 Cb -0.05 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.66 1xke s ARG 14 CO 0.03 -0.59 0.18 0.54 -0.81 0.00 0.00 175.30 174.64 1xke s VAL 15 N 3.04 0.23 -0.04 7.11 0.11 0.20 -4.76 120.40 126.28 1xke s VAL 15 Ca 0.46 -2.00 0.05 0.00 -2.93 0.00 0.00 61.98 57.56 1xke s VAL 15 Cb -0.16 -2.50 -0.01 0.00 -1.53 0.00 0.00 36.38 32.18 1xke s VAL 15 CO 0.09 0.00 -0.18 -1.59 -3.33 0.00 0.00 175.10 170.09 1xke s LYS 16 N -3.80 1.84 0.06 1.54 -2.85 -1.03 -0.35 119.74 115.15 1xke s LYS 16 Ca 0.37 -0.65 0.02 0.00 -1.00 0.00 0.00 55.97 54.71 1xke s LYS 16 Cb 0.05 -1.61 -0.04 0.00 -2.06 0.00 0.00 37.83 34.17 1xke s LYS 16 CO 0.18 0.27 0.08 -1.17 0.10 0.00 0.00 175.35 174.82 1xke s LEU 17 N -0.03 3.84 0.07 2.77 1.98 0.56 -2.31 118.68 125.56 1xke s LEU 17 Ca -0.03 0.03 0.06 0.00 -2.89 0.00 0.00 54.13 51.31 1xke s LEU 17 Cb -0.11 -2.46 -0.03 0.00 0.66 0.00 0.00 46.19 44.25 1xke s LEU 17 CO 0.02 0.19 -0.17 -0.36 -1.89 0.00 0.00 176.35 174.14 1xke s PHE 18 N -1.35 1.49 0.09 5.38 0.08 0.17 0.11 117.98 123.94 1xke s PHE 18 Ca 0.28 -0.41 0.07 0.00 0.12 0.00 0.00 56.93 56.99 1xke s PHE 18 Cb -0.12 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.45 1xke s PHE 18 CO 0.21 0.11 -0.15 -0.98 -0.10 0.00 0.00 175.22 174.31 1xke s ARG 19 N -1.59 2.02 -0.21 0.44 1.70 0.23 -1.91 118.95 119.62 1xke s ARG 19 Ca 0.03 -1.05 -0.11 0.00 -0.47 0.00 0.00 55.73 54.13 1xke s ARG 19 Cb -0.09 -2.22 -0.05 0.00 -0.57 0.00 0.00 34.95 32.02 1xke s ARG 19 CO 0.03 0.51 0.18 0.12 -1.08 0.00 0.00 175.30 175.05 1xke s PHE 20 N -1.10 3.37 -0.28 5.89 5.36 -1.18 0.06 117.98 130.10 1xke s PHE 20 Ca 0.18 0.33 -0.11 0.00 -0.96 0.00 0.00 56.93 56.37 1xke s PHE 20 Cb -0.11 -2.25 -0.05 0.00 -0.34 0.00 0.00 43.02 40.28 1xke s PHE 20 CO 0.10 0.17 0.19 0.34 -1.46 0.00 0.00 175.22 174.56 1xke s ASP 21 N 0.70 6.00 0.21 6.13 -1.08 0.23 -4.87 116.67 123.99 1xke s ASP 21 Ca 0.09 -0.04 -0.03 0.00 -0.52 0.00 0.00 52.55 52.05 1xke s ASP 21 Cb -0.12 -2.12 0.17 0.00 -1.46 0.00 0.00 42.92 39.39 1xke s ASP 21 CO 0.02 -0.06 1.58 0.00 0.52 0.00 0.00 175.17 177.22 1xke h ALA 22 N 8.38 0.81 0.00 3.66 0.00 -1.93 0.51 119.26 130.69 1xke h ALA 22 Ca -0.35 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 53.94 1xke h ALA 22 Cb 1.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 1xke h ALA 22 CO 0.56 0.65 -0.86 0.93 0.00 0.00 0.00 179.25 180.52 1xke h GLU 23 N 0.54 0.12 -0.00 0.00 4.39 -1.96 -3.04 114.58 114.65 1xke h GLU 23 Ca 0.05 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1xke h GLU 23 Cb 0.89 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1xke h GLU 23 CO 0.08 0.91 -0.78 0.28 -1.16 0.00 0.00 179.01 178.34 1xke n VAL 24 N -3.62 0.00 -3.32 3.13 0.31 -1.17 -4.90 118.33 108.75 1xke n VAL 24 Ca -0.03 -0.01 -0.23 0.00 -0.01 0.00 0.00 64.34 64.06 1xke n VAL 24 Cb 0.80 0.72 0.00 0.00 -0.91 0.00 0.00 33.84 34.46 1xke n VAL 24 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1xke n SER 25 N -1.42 -4.01 -4.04 4.52 7.64 0.15 -4.94 113.62 111.51 1xke n SER 25 Ca 0.05 -0.38 -0.14 0.00 1.01 0.00 0.00 58.87 59.41 1xke n SER 25 Cb 0.34 -3.31 -0.12 0.00 -1.01 0.00 0.00 64.21 60.11 1xke n SER 25 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xke s GLN 26 N -5.97 0.53 -0.31 1.43 0.74 0.50 -4.85 119.66 111.72 1xke s GLN 26 Ca 0.39 -0.59 -0.21 0.00 0.05 0.00 0.00 55.36 54.99 1xke s GLN 26 Cb -0.20 -0.37 -0.00 0.00 1.10 0.00 0.00 33.01 33.53 1xke s GLN 26 CO 0.48 0.08 0.68 1.67 -0.55 0.00 0.00 175.29 177.65 1xke s TRP 27 N -0.98 3.20 0.13 1.67 1.48 -1.25 0.74 118.94 123.93 1xke s TRP 27 Ca -0.06 0.62 0.05 0.00 -1.06 0.00 0.00 56.10 55.65 1xke s TRP 27 Cb -0.08 -3.09 -0.04 0.00 -1.16 0.00 0.00 33.47 29.10 1xke s TRP 27 CO 0.00 -0.53 -0.12 0.21 -4.06 0.00 0.00 176.95 172.45 1xke s LYS 28 N 2.74 1.01 0.34 3.25 2.47 0.11 -4.90 119.74 124.75 1xke s LYS 28 Ca 0.27 -1.29 -0.27 0.00 -1.56 0.00 0.00 55.97 53.12 1xke s LYS 28 Cb -0.15 -0.76 -0.09 0.00 -1.46 0.00 0.00 37.83 35.38 1xke s LYS 28 CO 0.13 0.13 1.12 -1.83 0.16 0.00 0.00 175.35 175.05 1xke s GLU 29 N -3.02 4.39 -0.15 4.03 1.03 -1.26 0.77 118.70 124.49 1xke s GLU 29 Ca 0.11 1.77 0.13 0.00 0.03 0.00 0.00 54.97 57.01 1xke s GLU 29 Cb -0.02 -2.93 -0.24 0.00 -0.80 0.00 0.00 34.13 30.14 1xke s GLU 29 CO 0.02 -0.00 0.24 0.54 -1.33 0.00 0.00 175.26 174.73 1xke n ARG 30 N 0.65 0.67 -3.52 -4.83 1.74 0.29 -4.69 116.66 106.98 1xke n ARG 30 Ca 0.01 0.12 0.01 0.00 -0.77 0.00 0.00 57.85 57.23 1xke n ARG 30 Cb 0.46 -1.62 0.01 0.00 -1.02 0.00 0.00 32.46 30.29 1xke n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xke n GLY 31 N 1.76 0.38 2.96 -0.13 0.00 -1.11 -4.96 105.19 104.09 1xke n GLY 31 Ca -0.29 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.58 1xke n GLY 31 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xke s LEU 32 N 0.00 1.30 0.00 0.99 2.01 -1.26 -0.32 118.68 121.39 1xke s LEU 32 Ca 0.23 0.24 0.00 0.00 0.01 0.00 0.00 54.13 54.61 1xke s LEU 32 Cb -0.01 0.36 0.00 0.00 0.01 0.00 0.00 46.19 46.55 1xke s LEU 32 CO 0.00 -0.08 0.00 0.61 1.01 0.00 0.00 176.35 177.90 1xke n GLY 33 N 3.42 0.11 3.63 -3.19 0.00 0.53 -3.69 105.19 106.01 1xke n GLY 33 Ca -0.17 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 1xke n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xke s ASN 34 N -4.00 6.77 -0.24 1.61 2.47 -0.78 0.59 114.94 121.36 1xke s ASN 34 Ca 0.00 0.90 -0.22 0.00 0.42 0.00 0.00 52.86 53.96 1xke s ASN 34 Cb 0.00 -2.43 -0.02 0.00 -1.45 0.00 0.00 41.25 37.35 1xke s ASN 34 CO 0.00 -0.57 0.70 -0.22 -3.72 0.00 0.00 177.10 173.28 1xke s LEU 35 N 2.94 4.08 0.20 3.21 0.20 0.26 -2.23 118.68 127.34 1xke s LEU 35 Ca 0.35 0.84 0.09 0.00 0.69 0.00 0.00 54.13 56.10 1xke s LEU 35 Cb -0.15 -2.97 -0.04 0.00 -0.43 0.00 0.00 46.19 42.60 1xke s LEU 35 CO 0.10 -0.40 -0.07 -1.59 -0.29 0.00 0.00 176.35 174.09 1xke s LYS 36 N 2.49 2.12 -0.15 1.98 -2.85 0.14 -0.21 119.74 123.26 1xke s LYS 36 Ca 0.30 -1.29 -0.03 0.00 -1.00 0.00 0.00 55.97 53.95 1xke s LYS 36 Cb -0.16 -2.17 -0.02 0.00 -2.06 0.00 0.00 37.83 33.42 1xke s LYS 36 CO 0.09 0.42 -0.07 0.42 0.10 0.00 0.00 175.35 176.31 1xke s ILE 37 N -1.83 3.60 -0.13 3.79 -1.09 -0.49 -0.51 121.20 124.54 1xke s ILE 37 Ca 0.26 -0.46 -0.02 0.00 -2.23 0.00 0.00 60.65 58.20 1xke s ILE 37 Cb -0.08 -2.56 -0.02 0.00 -1.58 0.00 0.00 42.46 38.21 1xke s ILE 37 CO 0.16 0.50 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.54 1xke s LEU 38 N 0.40 3.10 -0.10 2.97 1.43 -0.29 -1.13 118.68 125.06 1xke s LEU 38 Ca -0.06 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.91 1xke s LEU 38 Cb -0.15 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.36 1xke s LEU 38 CO 0.04 0.21 -0.18 -0.75 0.23 0.00 0.00 176.35 175.90 1xke s LYS 39 N 0.10 2.41 0.21 1.70 2.20 -0.19 0.29 119.74 126.45 1xke s LYS 39 Ca -0.02 -0.64 -0.31 0.00 -0.36 0.00 0.00 55.97 54.63 1xke s LYS 39 Cb -0.14 -1.95 -0.10 0.00 -1.51 0.00 0.00 37.83 34.13 1xke s LYS 39 CO 0.03 0.03 1.55 -0.80 -0.36 0.00 0.00 175.35 175.80 1xke s ASN 40 N 0.73 6.55 0.43 1.43 -0.87 0.46 -0.13 114.94 123.54 1xke s ASN 40 Ca -0.12 2.71 0.12 0.00 -1.57 0.00 0.00 52.86 54.00 1xke s ASN 40 Cb -0.16 -2.61 0.94 0.00 -0.02 0.00 0.00 41.25 39.40 1xke s ASN 40 CO 0.02 -0.82 2.00 -0.33 -2.57 0.00 0.00 177.10 175.40 1xke h GLU 41 N 6.03 0.17 -0.19 -0.60 4.39 -0.79 -2.49 114.58 121.10 1xke h GLU 41 Ca -0.44 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.18 1xke h GLU 41 Cb 1.21 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1xke h GLU 41 CO 0.86 0.25 -0.08 -0.24 -1.16 0.00 0.00 179.01 178.64 1xke h VAL 42 N 0.16 1.31 0.00 3.13 3.04 -1.90 -3.46 116.25 118.53 1xke h VAL 42 Ca 0.04 -1.13 0.00 0.00 -1.01 0.00 0.00 66.70 64.60 1xke h VAL 42 Cb 0.24 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1xke h VAL 42 CO 0.01 0.34 0.00 -3.20 -1.01 0.00 0.00 177.57 173.71 1xke n ASN 43 N -4.59 0.00 0.00 3.17 2.85 -0.94 -5.11 115.26 110.64 1xke n ASN 43 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1xke n ASN 43 Cb 0.31 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.33 1xke n ASN 43 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1xke n GLY 44 N 0.00 -1.22 3.78 8.20 0.00 -1.25 -4.78 105.19 109.92 1xke n GLY 44 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1xke n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xke s LYS 45 N 0.00 4.23 -0.10 1.61 1.02 -1.26 -4.80 119.74 120.44 1xke s LYS 45 Ca 0.00 0.66 0.03 0.00 0.02 0.00 0.00 55.97 56.68 1xke s LYS 45 Cb 0.00 -3.30 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1xke s LYS 45 CO 0.00 0.48 -0.20 -0.51 -0.92 0.00 0.00 175.35 174.20 1xke s LEU 46 N -0.53 2.34 0.09 3.17 2.01 -1.26 -0.40 118.68 124.10 1xke s LEU 46 Ca 0.29 -0.44 0.02 0.00 0.01 0.00 0.00 54.13 54.00 1xke s LEU 46 Cb -0.18 -1.48 -0.04 0.00 0.01 0.00 0.00 46.19 44.50 1xke s LEU 46 CO 0.16 0.20 -0.07 -0.13 1.01 0.00 0.00 176.35 177.52 1xke s ARG 47 N 0.14 0.77 -0.19 1.70 1.81 0.14 -1.82 118.95 121.50 1xke s ARG 47 Ca -0.11 -1.21 -0.01 0.00 -1.72 0.00 0.00 55.73 52.69 1xke s ARG 47 Cb -0.16 -0.23 0.01 0.00 -0.45 0.00 0.00 34.95 34.12 1xke s ARG 47 CO 0.06 -0.00 -0.13 -1.64 -0.68 0.00 0.00 175.30 172.90 1xke s MET 48 N -3.33 3.16 0.04 3.54 -1.94 0.26 -1.13 119.30 119.89 1xke s MET 48 Ca 0.07 -0.74 0.06 0.00 -1.71 0.00 0.00 55.69 53.36 1xke s MET 48 Cb 0.02 -2.75 -0.02 0.00 2.01 0.00 0.00 34.83 34.09 1xke s MET 48 CO -0.04 -0.19 -0.17 -0.48 -0.01 0.00 0.00 175.02 174.13 1xke s LEU 49 N 1.34 2.17 -0.09 -0.03 2.34 0.33 -0.34 118.68 124.40 1xke s LEU 49 Ca 0.05 -0.48 0.01 0.00 0.06 0.00 0.00 54.13 53.77 1xke s LEU 49 Cb -0.14 -0.76 0.02 0.00 -0.56 0.00 0.00 46.19 44.75 1xke s LEU 49 CO -0.08 0.09 -0.10 0.00 -1.06 0.00 0.00 176.35 175.19 1xke s MET 50 N -1.15 1.62 0.05 1.48 0.23 -1.00 0.28 119.30 120.82 1xke s MET 50 Ca 0.04 -0.34 0.02 0.00 -1.03 0.00 0.00 55.69 54.38 1xke s MET 50 Cb -0.08 -1.49 -0.04 0.00 -1.53 0.00 0.00 34.83 31.69 1xke s MET 50 CO 0.01 -0.11 0.06 0.50 -2.03 0.00 0.00 175.02 173.45 1xke s ARG 51 N 1.13 2.85 -0.20 3.16 3.52 -0.94 -0.31 118.95 128.15 1xke s ARG 51 Ca -0.06 -0.66 -0.22 0.00 -0.13 0.00 0.00 55.73 54.67 1xke s ARG 51 Cb -0.14 -2.72 -0.02 0.00 -1.56 0.00 0.00 34.95 30.51 1xke s ARG 51 CO -0.02 0.59 0.68 1.03 -0.81 0.00 0.00 175.30 176.77 1xke s ARG 52 N -2.12 4.21 0.00 5.12 0.52 -1.00 -1.87 118.95 123.81 1xke s ARG 52 Ca 0.26 0.70 0.00 0.00 -0.52 0.00 0.00 55.73 56.17 1xke s ARG 52 Cb -0.12 -3.59 0.00 0.00 0.52 0.00 0.00 34.95 31.76 1xke s ARG 52 CO 0.18 -0.30 0.81 0.39 0.02 0.00 0.00 175.30 176.40 1xke n GLU 53 N 5.25 0.00 0.00 3.54 -0.58 -1.24 0.05 120.64 127.65 1xke n GLU 53 Ca 0.00 0.60 0.14 0.00 -0.42 0.00 0.00 57.16 57.49 1xke n GLU 53 Cb 0.49 -1.31 0.69 0.00 -0.57 0.00 0.00 31.44 30.74 1xke n GLU 53 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1xke n GLN 54 N -1.91 0.45 0.00 3.49 1.13 -1.26 -2.05 117.38 117.23 1xke n GLN 54 Ca 0.00 -0.06 0.14 0.00 -1.94 0.00 0.00 57.00 55.13 1xke n GLN 54 Cb 0.00 -1.50 0.56 0.00 0.11 0.00 0.00 30.24 29.41 1xke n GLN 54 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1xke n VAL 55 N -1.22 0.00 -0.51 5.09 0.31 -0.84 -4.91 118.33 116.24 1xke n VAL 55 Ca 0.13 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1xke n VAL 55 Cb 0.26 -0.14 0.00 0.00 -0.91 0.00 0.00 33.84 33.06 1xke n VAL 55 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1xke n LEU 56 N -1.17 0.53 -3.91 7.52 7.94 0.11 -4.88 117.00 123.14 1xke n LEU 56 Ca 0.11 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.71 1xke n LEU 56 Cb 0.30 -1.51 -0.15 0.00 0.53 0.00 0.00 43.42 42.58 1xke n LEU 56 CO 0.26 -0.51 -0.37 -0.75 -1.11 0.00 0.00 177.39 174.90 1xke s LYS 57 N -1.03 1.35 -0.13 1.96 2.20 -1.18 -4.87 119.74 118.05 1xke s LYS 57 Ca 0.00 -1.24 -0.29 0.00 -0.36 0.00 0.00 55.97 54.08 1xke s LYS 57 Cb 0.00 -2.60 -0.14 0.00 -1.51 0.00 0.00 37.83 33.59 1xke s LYS 57 CO 0.00 -0.79 0.86 1.55 -0.36 0.00 0.00 175.35 176.62 1xke n VAL 58 N 4.61 0.00 -0.11 4.02 3.14 -1.26 -2.39 118.33 126.34 1xke n VAL 58 Ca -0.05 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.19 1xke n VAL 58 Cb 0.43 -0.13 -0.14 0.00 -1.06 0.00 0.00 33.84 32.94 1xke n VAL 58 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xke s ALA 60 N -2.50 -0.26 -0.35 0.00 0.00 -1.23 -4.51 121.76 112.92 1xke s ALA 60 Ca -0.21 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.09 1xke s ALA 60 Cb 0.07 -0.18 0.10 0.00 0.00 0.00 0.00 23.12 23.11 1xke s ALA 60 CO 0.72 -0.05 0.07 1.21 0.00 0.00 0.00 175.76 177.70 1xke s ASN 61 N 0.11 4.67 -0.12 0.00 2.47 -1.26 -2.36 114.94 118.45 1xke s ASN 61 Ca -0.00 -2.17 -0.03 0.00 0.42 0.00 0.00 52.86 51.07 1xke s ASN 61 Cb -0.01 -1.56 -0.03 0.00 -1.45 0.00 0.00 41.25 38.20 1xke s ASN 61 CO -0.00 -0.37 0.01 -1.00 -3.72 0.00 0.00 177.10 172.01 1xke s HIS 62 N 0.89 3.16 0.36 0.43 3.76 0.54 -3.86 115.29 120.57 1xke s HIS 62 Ca 0.11 0.08 -0.19 0.00 -0.15 0.00 0.00 55.06 54.91 1xke s HIS 62 Cb -0.19 -1.88 -0.10 0.00 1.11 0.00 0.00 32.58 31.52 1xke s HIS 62 CO -0.09 0.32 0.85 -1.58 -0.85 0.00 0.00 174.74 173.39 1xke s TRP 63 N -0.42 3.41 -0.25 1.40 0.52 -1.26 0.91 118.94 123.25 1xke s TRP 63 Ca 0.08 1.47 0.01 0.00 0.02 0.00 0.00 56.10 57.68 1xke s TRP 63 Cb -0.12 -2.73 0.04 0.00 -1.15 0.00 0.00 33.47 29.52 1xke s TRP 63 CO 0.02 0.04 -0.10 -1.50 0.02 0.00 0.00 176.95 175.43 1xke s ILE 64 N -1.99 2.41 0.07 2.03 -1.16 -0.76 -4.76 121.20 117.05 1xke s ILE 64 Ca 0.56 -1.32 -0.05 0.00 -0.51 0.00 0.00 60.65 59.33 1xke s ILE 64 Cb -0.11 -2.29 -0.02 0.00 0.61 0.00 0.00 42.46 40.65 1xke s ILE 64 CO 0.16 0.13 0.09 0.28 -2.81 0.00 0.00 174.94 172.80 1xke s THR 65 N 1.21 0.17 -1.56 4.00 -1.32 -1.26 -4.64 115.64 112.24 1xke s THR 65 Ca -0.04 -1.41 0.26 0.00 -1.21 0.00 0.00 61.69 59.29 1xke s THR 65 Cb -0.18 -1.36 0.53 0.00 -1.51 0.00 0.00 72.50 69.98 1xke s THR 65 CO -0.06 -0.78 1.90 0.41 -2.21 0.00 0.00 174.62 173.88 1xke n THR 66 N 0.10 0.12 1.80 5.08 -1.04 -1.26 -2.45 114.28 116.64 1xke n THR 66 Ca -0.15 0.03 0.08 0.00 -2.04 0.00 0.00 64.05 61.97 1xke n THR 66 Cb 0.61 -0.60 0.40 0.00 -1.82 0.00 0.00 70.33 68.92 1xke n THR 66 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1xke n THR 67 N -1.22 0.06 -4.09 12.58 -1.04 -1.26 -4.70 114.28 114.61 1xke n THR 67 Ca 0.14 -0.09 -0.10 0.00 -2.04 0.00 0.00 64.05 61.96 1xke n THR 67 Cb 0.18 -0.09 -0.08 0.00 -1.82 0.00 0.00 70.33 68.52 1xke n THR 67 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1xke s MET 68 N -1.94 1.28 0.01 -2.82 0.00 -1.02 -5.13 119.30 109.68 1xke s MET 68 Ca 0.23 -1.41 -0.00 0.00 0.00 0.00 0.00 55.69 54.51 1xke s MET 68 Cb 0.11 0.35 -0.01 0.00 0.00 0.00 0.00 34.83 35.28 1xke s MET 68 CO 0.18 -0.46 -0.01 1.21 0.00 0.00 0.00 175.02 175.94 1xke s ASN 69 N -3.07 0.14 -0.05 1.11 3.84 -1.26 -4.84 114.94 110.81 1xke s ASN 69 Ca 0.28 -0.30 -0.19 0.00 0.21 0.00 0.00 52.86 52.87 1xke s ASN 69 Cb 0.04 0.08 -0.05 0.00 -0.55 0.00 0.00 41.25 40.77 1xke s ASN 69 CO 0.08 -0.20 0.53 -1.48 -2.79 0.00 0.00 177.10 173.24 1xke s LEU 70 N -0.92 4.37 -0.14 3.21 0.05 -1.26 -4.09 118.68 119.89 1xke s LEU 70 Ca -0.10 1.01 0.02 0.00 0.05 0.00 0.00 54.13 55.10 1xke s LEU 70 Cb -0.06 -2.80 0.00 0.00 -2.05 0.00 0.00 46.19 41.28 1xke s LEU 70 CO -0.01 0.09 -0.19 -0.75 -0.55 0.00 0.00 176.35 174.94 1xke s LYS 71 N 0.02 3.10 0.32 1.48 2.36 0.12 -4.92 119.74 122.21 1xke s LYS 71 Ca 0.28 -0.81 -0.29 0.00 -2.55 0.00 0.00 55.97 52.60 1xke s LYS 71 Cb -0.17 -2.50 -0.10 0.00 -1.05 0.00 0.00 37.83 34.00 1xke s LYS 71 CO 0.14 0.01 1.41 -1.25 1.55 0.00 0.00 175.35 177.21 1xke s PRO 72 N 0.79 4.26 0.54 4.03 0.04 -1.26 -0.11 135.00 143.28 1xke s PRO 72 Ca -0.07 2.35 -0.20 0.00 0.04 0.00 0.00 61.00 63.12 1xke s PRO 72 Cb -0.16 -3.05 -0.06 0.00 0.04 0.00 0.00 34.50 31.27 1xke s PRO 72 CO -0.01 -0.37 1.15 -1.17 0.04 0.00 0.00 177.00 176.64 1xke s LEU 73 N -1.38 3.77 0.04 -3.56 2.96 0.32 -4.85 118.68 115.98 1xke s LEU 73 Ca 0.54 2.22 -0.30 0.00 -0.22 0.00 0.00 54.13 56.37 1xke s LEU 73 Cb -0.42 -4.54 -0.05 0.00 0.50 0.00 0.00 46.19 41.67 1xke s LEU 73 CO 0.52 -1.24 1.17 -0.44 -1.32 0.00 0.00 176.35 175.04 1xke s SER 74 N -1.69 7.12 0.00 3.68 0.01 -1.26 -3.31 113.70 118.24 1xke s SER 74 Ca 0.72 1.94 0.00 0.00 1.31 0.00 0.00 55.95 59.92 1xke s SER 74 Cb -0.25 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.40 1xke s SER 74 CO 0.29 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 174.09 1xke n GLY 75 N 3.19 1.95 3.91 3.44 0.00 -1.26 -4.99 105.19 111.43 1xke n GLY 75 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 1xke n GLY 75 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xke s SER 76 N -3.43 5.69 -0.13 1.61 0.15 -1.21 -4.98 113.70 111.40 1xke s SER 76 Ca 0.00 0.84 -0.22 0.00 0.70 0.00 0.00 55.95 57.27 1xke s SER 76 Cb 0.00 -1.85 -0.26 0.00 -1.71 0.00 0.00 66.02 62.21 1xke s SER 76 CO 0.00 -1.03 0.60 -2.24 1.20 0.00 0.00 173.24 171.77 1xke h ASP 77 N -0.20 0.19 0.00 5.45 2.03 -1.94 -3.45 116.42 118.50 1xke h ASP 77 Ca -0.45 -0.84 -0.11 0.00 -0.73 0.00 0.00 57.03 54.90 1xke h ASP 77 Cb 1.25 -0.06 -0.09 0.00 -0.83 0.00 0.00 39.33 39.59 1xke h ASP 77 CO 0.61 1.36 -0.16 -1.14 -1.03 0.00 0.00 179.24 178.88 1xke n ARG 78 N -4.29 0.84 -4.05 4.15 3.00 -1.26 -4.97 116.66 110.08 1xke n ARG 78 Ca -0.20 -0.79 -0.25 0.00 -0.00 0.00 0.00 57.85 56.61 1xke n ARG 78 Cb 0.71 0.24 -0.04 0.00 0.00 0.00 0.00 32.46 33.37 1xke n ARG 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xke s ALA 79 N 0.08 3.68 0.08 5.13 0.00 -1.26 -4.05 121.76 125.42 1xke s ALA 79 Ca 0.06 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 50.78 1xke s ALA 79 Cb 0.28 -1.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.90 1xke s ALA 79 CO -0.08 0.43 -0.00 1.67 0.00 0.00 0.00 175.76 177.77 1xke s TRP 80 N -1.86 0.65 0.05 0.00 1.48 -1.16 -0.52 118.94 117.58 1xke s TRP 80 Ca 0.32 -1.12 0.06 0.00 -1.06 0.00 0.00 56.10 54.31 1xke s TRP 80 Cb -0.10 -0.43 -0.02 0.00 -1.16 0.00 0.00 33.47 31.76 1xke s TRP 80 CO 0.25 -0.41 -0.17 0.00 -4.06 0.00 0.00 176.95 172.56 1xke s MET 81 N -3.96 1.10 0.06 3.25 0.23 0.84 -1.85 119.30 118.97 1xke s MET 81 Ca 0.13 -0.85 0.02 0.00 -1.03 0.00 0.00 55.69 53.96 1xke s MET 81 Cb 0.08 -1.16 -0.03 0.00 -1.53 0.00 0.00 34.83 32.19 1xke s MET 81 CO -0.06 0.29 -0.08 1.67 -2.03 0.00 0.00 175.02 174.81 1xke s TRP 82 N -0.86 0.80 -0.19 3.16 -2.14 0.23 0.15 118.94 120.08 1xke s TRP 82 Ca 0.04 -0.60 -0.06 0.00 2.66 0.00 0.00 56.10 58.14 1xke s TRP 82 Cb -0.08 -0.47 -0.03 0.00 -3.10 0.00 0.00 33.47 29.79 1xke s TRP 82 CO 0.02 -0.08 0.01 -0.48 -2.66 0.00 0.00 176.95 173.76 1xke s LEU 83 N -1.99 3.42 0.05 -4.66 2.34 -1.26 -0.91 118.68 115.67 1xke s LEU 83 Ca -0.03 -0.11 -0.07 0.00 0.06 0.00 0.00 54.13 53.98 1xke s LEU 83 Cb -0.06 -1.86 -0.01 0.00 -0.56 0.00 0.00 46.19 43.70 1xke s LEU 83 CO -0.01 0.11 0.14 0.00 -1.06 0.00 0.00 176.35 175.53 1xke s ALA 84 N 0.75 -0.17 -0.39 1.48 0.00 0.12 -4.89 121.76 118.65 1xke s ALA 84 Ca 0.01 -0.50 -0.23 0.00 0.00 0.00 0.00 51.96 51.25 1xke s ALA 84 Cb -0.14 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.29 1xke s ALA 84 CO 0.02 -0.36 0.76 -1.54 0.00 0.00 0.00 175.76 174.64 1xke s SER 85 N -2.26 6.48 0.16 0.00 1.04 -1.26 -0.62 113.70 117.25 1xke s SER 85 Ca -0.03 0.16 -0.13 0.00 0.48 0.00 0.00 55.95 56.42 1xke s SER 85 Cb 0.00 -2.38 -0.07 0.00 0.10 0.00 0.00 66.02 63.67 1xke s SER 85 CO -0.06 -0.78 0.54 -0.62 0.98 0.00 0.00 173.24 173.31 1xke s ASP 86 N 1.94 6.78 0.00 7.02 2.15 0.10 -4.53 116.67 130.14 1xke s ASP 86 Ca 0.30 1.04 0.00 0.00 0.43 0.00 0.00 52.55 54.32 1xke s ASP 86 Cb -0.13 -2.27 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1xke s ASP 86 CO 0.19 0.07 0.00 0.33 -0.17 0.00 0.00 175.17 175.59 1xke n PHE 87 N 0.63 0.00 -0.12 -5.34 7.35 -1.23 -2.15 117.46 116.60 1xke n PHE 87 Ca -0.04 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.59 1xke n PHE 87 Cb 0.52 0.00 0.12 0.00 0.35 0.00 0.00 39.48 40.47 1xke n PHE 87 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1xke h SER 88 N 0.00 0.82 0.00 -2.13 0.87 -1.80 -3.41 113.55 107.90 1xke h SER 88 Ca 0.00 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1xke h SER 88 Cb 0.00 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1xke h SER 88 CO 0.00 0.91 0.00 -0.67 -0.53 0.00 0.00 176.83 176.54 1xke n ASP 89 N -4.19 0.00 0.00 6.23 2.03 -1.26 -4.99 116.55 114.37 1xke n ASP 89 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1xke n ASP 89 Cb 0.33 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.73 1xke n ASP 89 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xke n GLY 90 N 0.00 -0.15 3.20 0.27 0.00 -1.26 -5.06 105.19 102.19 1xke n GLY 90 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1xke n GLY 90 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xke s ASP 91 N -1.27 -0.37 -0.68 1.61 2.15 -1.26 -5.05 116.67 111.80 1xke s ASP 91 Ca 0.00 0.69 -0.23 0.00 0.43 0.00 0.00 52.55 53.44 1xke s ASP 91 Cb 0.00 0.64 0.06 0.00 -0.30 0.00 0.00 42.92 43.33 1xke s ASP 91 CO 0.00 -0.14 1.03 0.00 -0.17 0.00 0.00 175.17 175.89 1xke s ALA 92 N 0.65 3.05 -0.01 3.66 0.00 -1.26 -3.55 121.76 124.30 1xke s ALA 92 Ca -0.04 -1.79 0.02 0.00 0.00 0.00 0.00 51.96 50.15 1xke s ALA 92 Cb -0.05 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1xke s ALA 92 CO -0.04 -2.88 -0.05 0.15 0.00 0.00 0.00 175.76 172.94 1xke s LYS 93 N 4.33 0.51 -0.22 0.00 -0.14 -0.91 -5.02 119.74 118.29 1xke s LYS 93 Ca 0.25 -0.18 -0.08 0.00 -1.36 0.00 0.00 55.97 54.60 1xke s LYS 93 Cb -0.15 -0.51 -0.04 0.00 -1.68 0.00 0.00 37.83 35.46 1xke s LYS 93 CO 0.10 0.08 0.08 -0.48 -0.76 0.00 0.00 175.35 174.37 1xke s LEU 94 N 0.08 3.65 -0.01 3.17 0.05 -1.26 0.02 118.68 124.39 1xke s LEU 94 Ca -0.00 -0.06 -0.02 0.00 0.05 0.00 0.00 54.13 54.09 1xke s LEU 94 Cb -0.05 -1.96 -0.00 0.00 -2.05 0.00 0.00 46.19 42.13 1xke s LEU 94 CO -0.00 0.05 0.05 -0.70 -0.55 0.00 0.00 176.35 175.20 1xke s GLU 95 N 1.09 0.21 -0.36 1.48 2.12 0.21 -4.94 118.70 118.51 1xke s GLU 95 Ca 0.05 -0.20 -0.13 0.00 0.36 0.00 0.00 54.97 55.05 1xke s GLU 95 Cb -0.14 0.08 -0.00 0.00 0.26 0.00 0.00 34.13 34.33 1xke s GLU 95 CO 0.03 -0.04 0.24 -0.65 -0.54 0.00 0.00 175.26 174.31 1xke s GLN 96 N -0.63 3.30 0.16 4.30 1.11 -1.26 0.14 119.66 126.78 1xke s GLN 96 Ca -0.07 -0.78 0.07 0.00 0.01 0.00 0.00 55.36 54.59 1xke s GLN 96 Cb -0.04 -3.82 -0.04 0.00 -1.01 0.00 0.00 33.01 28.09 1xke s GLN 96 CO 0.00 -0.54 -0.14 -0.48 0.01 0.00 0.00 175.29 174.14 1xke s LEU 97 N 1.69 2.49 0.25 2.90 -0.00 -0.08 -3.08 118.68 122.84 1xke s LEU 97 Ca 0.05 -0.93 0.08 0.00 -0.00 0.00 0.00 54.13 53.34 1xke s LEU 97 Cb -0.18 -0.61 -0.05 0.00 -0.00 0.00 0.00 46.19 45.35 1xke s LEU 97 CO 0.10 -0.17 -0.12 0.00 -0.00 0.00 0.00 176.35 176.16 1xke s ALA 98 N -2.62 2.32 -0.02 1.48 0.00 -0.80 -0.60 121.76 121.51 1xke s ALA 98 Ca 0.16 -1.81 -0.11 0.00 0.00 0.00 0.00 51.96 50.21 1xke s ALA 98 Cb -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.08 1xke s ALA 98 CO 0.05 0.06 0.22 0.00 0.00 0.00 0.00 175.76 176.10 1xke s ALA 99 N -2.87 -0.56 0.00 0.00 0.00 -0.77 0.46 121.76 118.03 1xke s ALA 99 Ca 0.27 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.43 1xke s ALA 99 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 1xke s ALA 99 CO 0.11 -0.21 -0.05 0.21 0.00 0.00 0.00 175.76 175.81 1xke s LYS 100 N -1.11 0.40 0.10 0.00 2.20 -0.98 -2.98 119.74 117.37 1xke s LYS 100 Ca -0.12 -0.27 0.03 0.00 -0.36 0.00 0.00 55.97 55.25 1xke s LYS 100 Cb -0.06 -0.34 -0.04 0.00 -1.51 0.00 0.00 37.83 35.88 1xke s LYS 100 CO 0.02 0.09 0.15 -0.06 -0.36 0.00 0.00 175.35 175.19 1xke s PHE 101 N -0.34 3.30 0.21 4.03 0.08 -1.26 -2.46 117.98 121.54 1xke s PHE 101 Ca -0.00 0.11 -0.13 0.00 0.12 0.00 0.00 56.93 57.02 1xke s PHE 101 Cb -0.03 -1.64 0.24 0.00 -0.57 0.00 0.00 43.02 41.02 1xke s PHE 101 CO -0.00 0.54 1.63 0.87 -0.10 0.00 0.00 175.22 178.16 1xke h LYS 102 N 2.90 0.01 -6.05 0.44 6.56 -1.95 -3.41 116.57 115.06 1xke h LYS 102 Ca -0.47 -0.00 -0.56 0.00 -1.06 0.00 0.00 60.65 58.56 1xke h LYS 102 Cb 1.17 -0.00 -0.15 0.00 -0.57 0.00 0.00 32.23 32.69 1xke h LYS 102 CO 0.68 0.00 -0.76 0.95 -2.06 0.00 0.00 179.45 178.27 1xke s THR 103 N -6.23 2.22 -1.60 -0.16 -4.23 -1.26 -4.99 115.64 99.39 1xke s THR 103 Ca -0.14 -2.29 0.11 0.00 -1.18 0.00 0.00 61.69 58.19 1xke s THR 103 Cb 0.19 -2.18 0.23 0.00 1.34 0.00 0.00 72.50 72.08 1xke s THR 103 CO 0.74 -0.42 1.21 -2.65 -0.54 0.00 0.00 174.62 172.96 1xke n PRO 104 N -0.41 0.22 0.07 3.99 -0.02 -1.26 -0.27 135.00 137.30 1xke n PRO 104 Ca -0.07 0.13 -0.12 0.00 -2.02 0.00 0.00 63.50 61.42 1xke n PRO 104 Cb 0.60 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.50 1xke n PRO 104 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1xke h GLU 105 N 0.00 -0.22 -0.11 -0.52 4.81 -1.94 0.36 114.58 116.96 1xke h GLU 105 Ca 0.00 0.02 -0.22 0.00 -0.13 0.00 0.00 59.36 59.02 1xke h GLU 105 Cb 0.07 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.52 1xke h GLU 105 CO 0.00 0.20 -0.81 -0.07 -0.73 0.00 0.00 179.01 177.59 1xke h LEU 106 N -0.80 0.90 -0.12 1.64 3.38 -1.61 -0.05 115.31 118.64 1xke h LEU 106 Ca -0.02 -0.66 -0.04 0.00 0.09 0.00 0.00 57.88 57.24 1xke h LEU 106 Cb 0.52 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1xke h LEU 106 CO 0.04 1.42 -0.09 0.00 0.09 0.00 0.00 178.44 179.90 1xke h ALA 107 N 0.49 0.18 -0.12 1.53 0.00 -0.76 -2.58 119.26 118.00 1xke h ALA 107 Ca -0.07 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1xke h ALA 107 Cb 1.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1xke h ALA 107 CO 0.17 -0.00 -0.33 1.49 0.00 0.00 0.00 179.25 180.57 1xke h GLU 108 N -0.09 0.43 -0.73 0.00 4.81 -0.19 -2.35 114.58 116.46 1xke h GLU 108 Ca 0.02 -0.31 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1xke h GLU 108 Cb 0.58 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.98 1xke h GLU 108 CO 0.02 0.92 0.38 0.93 -0.73 0.00 0.00 179.01 180.54 1xke h GLU 109 N 0.02 1.04 -0.16 1.92 4.39 -1.11 -1.89 114.58 118.79 1xke h GLU 109 Ca -0.01 -0.13 -0.11 0.00 0.34 0.00 0.00 59.36 59.44 1xke h GLU 109 Cb 0.95 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 1xke h GLU 109 CO 0.07 0.79 -0.39 0.35 -1.16 0.00 0.00 179.01 178.67 1xke h PHE 110 N 1.02 0.41 0.01 4.33 3.04 -1.50 -1.72 116.94 122.53 1xke h PHE 110 Ca 0.26 -0.11 0.02 0.00 3.98 0.00 0.00 57.97 62.11 1xke h PHE 110 Cb 0.07 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.46 1xke h PHE 110 CO 0.00 0.70 -0.13 -0.22 -2.02 0.00 0.00 178.31 176.64 1xke h LYS 111 N 0.30 -0.21 -0.06 1.11 3.11 -0.80 0.53 116.57 120.54 1xke h LYS 111 Ca 0.03 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.90 1xke h LYS 111 Cb 0.83 0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 32.08 1xke h LYS 111 CO 0.07 -0.14 -0.06 1.96 -2.81 0.00 0.00 179.45 178.47 1xke h GLN 112 N -0.22 -0.07 -0.57 1.90 1.08 -1.20 -2.45 115.11 113.58 1xke h GLN 112 Ca 0.04 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.18 1xke h GLN 112 Cb 0.27 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.69 1xke h GLN 112 CO -0.12 -0.04 0.08 0.87 -0.95 0.00 0.00 178.83 178.67 1xke h LYS 113 N -0.07 0.92 0.24 1.46 1.57 -1.04 -2.49 116.57 117.17 1xke h LYS 113 Ca 0.05 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1xke h LYS 113 Cb 0.13 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1xke h LYS 113 CO -0.11 0.86 -0.24 0.35 -0.57 0.00 0.00 179.45 179.75 1xke h PHE 114 N 0.87 -0.63 -0.21 -1.35 3.04 0.50 0.45 116.94 119.61 1xke h PHE 114 Ca 0.18 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 62.02 1xke h PHE 114 Cb 0.40 0.25 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 1xke h PHE 114 CO 0.02 -0.35 -0.34 1.05 -2.02 0.00 0.00 178.31 176.67 1xke h GLU 115 N -0.51 0.44 -0.18 1.11 4.11 -1.43 -0.17 114.58 117.95 1xke h GLU 115 Ca -0.00 -0.20 -0.01 0.00 0.07 0.00 0.00 59.36 59.22 1xke h GLU 115 Cb 0.47 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1xke h GLU 115 CO -0.05 0.73 0.06 1.49 0.07 0.00 0.00 179.01 181.30 1xke h GLU 116 N 0.38 0.27 -0.34 1.06 4.57 -1.03 -2.44 114.58 117.05 1xke h GLU 116 Ca 0.04 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1xke h GLU 116 Cb 0.78 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.31 1xke h GLU 116 CO 0.06 0.38 0.23 0.00 -1.18 0.00 0.00 179.01 178.50 1xke h GLN 118 N 0.37 -0.06 -0.02 0.00 4.20 -0.53 0.33 115.11 119.41 1xke h GLN 118 Ca 0.14 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 1xke h GLN 118 Cb 0.09 0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.88 1xke h GLN 118 CO -0.03 -0.04 -0.12 0.00 -0.67 0.00 0.00 178.83 177.97 1xke h ARG 119 N -0.06 0.11 0.00 1.46 -0.00 -1.36 -3.38 114.38 111.16 1xke h ARG 119 Ca 0.10 -0.10 -0.10 0.00 -0.50 0.00 0.00 59.98 59.38 1xke h ARG 119 Cb 0.21 0.02 0.01 0.00 0.00 0.00 0.00 29.97 30.21 1xke h ARG 119 CO -0.22 0.79 -0.38 -0.07 0.00 0.00 0.00 179.97 180.09 1xke h LEU 120 N -0.52 0.33 -2.89 3.04 4.07 -0.46 -3.37 115.31 115.51 1xke h LEU 120 Ca -0.01 -0.78 -0.00 0.00 0.08 0.00 0.00 57.88 57.17 1xke h LEU 120 Cb 0.82 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 42.46 1xke h LEU 120 CO 0.03 1.07 -0.00 0.25 -1.08 0.00 0.00 178.44 178.70 1xke h LEU 121 N -0.37 0.00 -0.45 1.67 6.46 -0.53 -2.32 115.31 119.78 1xke h LEU 121 Ca -0.05 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.68 1xke h LEU 121 Cb 1.13 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.04 1xke h LEU 121 CO 0.07 0.00 0.15 -0.07 -0.62 0.00 0.00 178.44 177.97 1xke h LEU 122 N 0.00 0.65 0.00 2.25 3.38 -1.72 -3.34 115.31 116.53 1xke h LEU 122 Ca -0.00 -0.20 -0.29 0.00 0.09 0.00 0.00 57.88 57.48 1xke h LEU 122 Cb 0.03 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 1xke h LEU 122 CO 0.00 0.67 -2.11 -0.67 0.09 0.00 0.00 178.44 176.43 1xke n ASP 123 N -4.56 1.06 -4.72 -0.43 2.03 -0.87 -4.77 116.55 104.29 1xke n ASP 123 Ca 0.01 -0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 1xke n ASP 123 Cb 0.18 0.87 -0.04 0.00 -0.72 0.00 0.00 41.12 41.41 1xke n ASP 123 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1xke s ILE 124 N -2.39 4.99 0.17 5.18 -5.25 -1.22 -5.01 121.20 117.67 1xke s ILE 124 Ca -0.08 1.63 -0.30 0.00 -0.99 0.00 0.00 60.65 60.90 1xke s ILE 124 Cb 0.05 -4.12 -0.08 0.00 2.95 0.00 0.00 42.46 41.25 1xke s ILE 124 CO 0.66 0.23 1.33 -2.84 -1.79 0.00 0.00 174.94 172.53 1xke s PRO 125 N 0.83 4.37 0.08 0.37 0.02 -1.26 -4.88 135.00 134.53 1xke s PRO 125 Ca 0.42 2.06 0.05 0.00 0.02 0.00 0.00 61.00 63.54 1xke s PRO 125 Cb -0.19 -3.21 -0.03 0.00 0.02 0.00 0.00 34.50 31.09 1xke s PRO 125 CO 0.21 -0.31 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.94 1xke s LEU 126 N 0.27 2.33 -0.59 -5.54 1.43 -1.26 -4.90 118.68 110.42 1xke s LEU 126 Ca 0.59 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 1xke s LEU 126 Cb -0.37 -0.43 0.02 0.00 0.03 0.00 0.00 46.19 45.44 1xke s LEU 126 CO 0.36 -0.15 0.64 1.67 0.23 0.00 0.00 176.35 179.10 1xke n GLN 127 N 0.96 -1.84 -3.63 1.70 0.00 -1.26 -5.01 117.38 108.30 1xke n GLN 127 Ca -0.19 1.63 -0.27 0.00 -0.00 0.00 0.00 57.00 58.18 1xke n GLN 127 Cb 0.56 -4.77 -0.03 0.00 0.00 0.00 0.00 30.24 26.00 1xke n GLN 127 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 1xke s THR 128 N -2.64 5.17 0.43 1.69 -4.23 -1.26 -5.07 115.64 109.73 1xke s THR 128 Ca 0.15 -0.36 -0.24 0.00 -1.18 0.00 0.00 61.69 60.05 1xke s THR 128 Cb -0.03 -3.76 -0.08 0.00 1.34 0.00 0.00 72.50 69.97 1xke s THR 128 CO 0.79 -0.25 1.19 -2.16 -0.54 0.00 0.00 174.62 173.66 1xke s PRO 129 N -3.51 3.91 0.00 3.99 0.04 -1.26 -5.27 135.00 132.90 1xke s PRO 129 Ca 0.39 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1xke s PRO 129 Cb -0.11 -2.57 0.00 0.00 0.04 0.00 0.00 34.50 31.86 1xke s PRO 129 CO 0.30 -0.45 0.11 1.17 0.04 0.00 0.00 177.00 178.17